Geometry & MOs

Info

ID:

225836

PubChem CID:

87226507

Reduced:

O2N5C20H25 (1)

Stoich.:

A2B5C20D25 (1)

Weight, g/mol:

908.356734

ΔHf, kcal/mol:

22.23

Dipole, Da:

3.41

IP(EA), eV:

 -8.1(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[4-[4-[4-[[2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]butyl]phenyl]piperidine-1-carbonyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1/C(=C/2\C=C3C=CC=CC3=N2)/C=C(N1)C(=O)NCCN4CCCC(C4)O

DOS

IR

Vibrations